N-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-4-yl]-2-methoxyacetamide

C11H16ClN3O4S2 — CID 61045778

IUPACN-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-4-yl]-2-methoxyacetamide
SMILESCOCC(=O)NC1CCN(S(=O)(=O)c2cnc(Cl)s2)CC1
InChIInChI=1S/C11H16ClN3O4S2/c1-19-7-9(16)14-8-2-4-15(5-3-8)21(17,18)10-6-13-11(12)20-10/h6,8H,2-5,7H2,1H3,(H,14,16)
InChIKeyDLQDUGPWVGQYJK-UHFFFAOYSA-N
MW353.85 g/mol
LogP0.71
Rot. Bonds5

About N-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-4-yl]-2-methoxyacetamide

N-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-4-yl]-2-methoxyacetamide (PubChem CID 61045778) has the molecular formula C11H16ClN3O4S2 and a molecular weight of 353.85 g/mol. Its IUPAC name is N-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-4-yl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-4-yl]-2-methoxyacetamide
PubChem CID61045778
Molecular FormulaC11H16ClN3O4S2
Molecular Weight353.85 g/mol
Exact Mass353.03
IUPAC NameN-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-4-yl]-2-methoxyacetamide
SMILESCOCC(=O)NC1CCN(S(=O)(=O)c2cnc(Cl)s2)CC1
InChIInChI=1S/C11H16ClN3O4S2/c1-19-7-9(16)14-8-2-4-15(5-3-8)21(17,18)10-6-13-11(12)20-10/h6,8H,2-5,7H2,1H3,(H,14,16)
InChIKeyDLQDUGPWVGQYJK-UHFFFAOYSA-N
XLogP0.71
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-4-yl]carbamate
CID 177057152
Ethyl 4-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]piperidine-1-carboxylate
CID 43455894
2-chloro-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1,3-thiazole-5-sulfonamide
CID 61042171
N-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-4-yl]cyclopropanecarboxamide
CID 61045042
N-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-4-yl]-2-methylpropanamide
CID 61045226
N-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-4-yl]butanamide
CID 61045227
ethyl N-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-3-yl]carbamate
CID 61045545
N-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-4-yl]propanamide
CID 61045958
1-[4-[(2-Chloro-1,3-thiazol-5-yl)sulfonyl]piperazin-1-yl]-2-methoxyethanone
CID 61047437
N-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-3-yl]acetamide
CID 61047620
2-chloro-N-[1-(2-methoxyacetyl)piperidin-4-yl]-1,3-thiazole-5-sulfonamide
CID 61052215
2-[4-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]piperidin-1-yl]-N-methylacetamide
CID 61052548

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-4-yl]-2-methoxyacetamide?
The IUPAC name of N-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-4-yl]-2-methoxyacetamide (CID 61045778) is N-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-4-yl]-2-methoxyacetamide.
What is the SMILES notation for N-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-4-yl]-2-methoxyacetamide?
The canonical SMILES for N-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-4-yl]-2-methoxyacetamide is COCC(=O)NC1CCN(S(=O)(=O)c2cnc(Cl)s2)CC1.
What is the InChIKey of N-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-4-yl]-2-methoxyacetamide?
The InChIKey is DLQDUGPWVGQYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O4S2/c1-19-7-9(16)14-8-2-4-15(5-3-8)21(17,18)10-6-13-11(12)20-10/h6,8H,2-5,7H2,1H3,(H,14,16).
What are the key properties of N-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-4-yl]-2-methoxyacetamide?
N-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-4-yl]-2-methoxyacetamide has a molecular weight of 353.85 g/mol, XLogP of 0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-4-yl]-2-methoxyacetamide is sourced from PubChem (CID 61045778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).